Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 3/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27725321 | 0.71 | ALDH1A1 (0.56) | ALOX15ALDH1A1TSHRSMN1; SMN2F2 | |
| SCHEMBL25689888 | 0.70 | KMT2A (0.34) | CYP2C19CYP2D6CYP2C9CYP1A2CXCR3 | |
| Benzene SCHEMBL28074245 | 0.67 | ALDH1A1 (0.74) | CYP2C19CYP3A4TDP1ALOX15ALDH1A1 | |
| SCHEMBL7477977 | 0.67 | ALDH1A1 (0.74) | CYP2C19CYP3A4TDP1ALOX15ALDH1A1 | |
| SCHEMBL31390276 | 0.67 | ALDH1A1 (0.74) | CYP2C19CYP3A4TDP1ALOX15ALDH1A1 | |
| SCHEMBL8771 | 0.67 | ALDH1A1 (0.74) | CYP2C19CYP3A4TDP1ALOX15ALDH1A1 | |
| Benzene SCHEMBL27461159 | 0.67 | ALDH1A1 (0.74) | CYP2C19CYP3A4TDP1ALOX15ALDH1A1 | |
| Cyclohexane SCHEMBL29048825 | 0.66 | ALDH1A1 (0.64) | CYP2C19CYP3A4TDP1ALOX15ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL4887278 | 0.66 | ALDH1A1 (0.70) | CYP2C19CYP3A4TDP1ALOX15ALDH1A1 | |
| SCHEMBL28957788 | 0.66 | ALDH1A1 (0.70) | CYP2C19CYP3A4TDP1ALOX15ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101186678-A | Acid-degradable resin compositions containing ketene-aldehyde copolymer | NIPPON SODA CO (JP) | 2008-05-28 | — | — | CN | disclosed |